Crystal Structure of (4Z)-(2-Oxopropylidene)-1-propargyl-1,2,4,5-tetrahydro- 2H-1,5-benzodiazepin-2-one

Abstract

The title compound, C<inf>15</inf>H<inf>14</inf>N<inf>2</inf>O<inf>2</inf>, crsytallizes in the monoclinic P2<inf>1</inf>/n space group. It contains a diazepine ring with a boat conformation. The unit-cell parameters at room temperature are a = 11.165(5), b = 4.233(5), c = 27.243(5)Å, β = 93.644(5), V = 1284.9(16)Å3, D<inf>x</inf> = 1.314 g/cm3, Z = 4. The crystal structure is stabilized by inter C-H·O and intra N-H·O hydrogen bonding interactions. 2006 © The Japan Society for Analytical Chemistry.